| SpectraBase Spectrum ID |
BO85mNonZHh |
| Name |
4-(4-Chloro-2,5-dimethoxy-phenyl)-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.076785695 u |
| Formula |
C17H16ClNO4 |
| InChI |
InChI=1S/C17H16ClNO4/c1-22-12-7-11(13(23-2)6-10(12)18)19-16(20)14-8-3-4-9(5-8)15(14)17(19)21/h3-4,6-9,14-15H,5H2,1-2H3 |
| InChIKey |
TVHTZAWCNONWKO-UHFFFAOYSA-N |
| Molecular Weight |
333.771 g/mol |
| SMILES |
COC1=C(C=C(C(N2C(C3C4C=CC(C3C2=O)C4)=O)=C1)OC)Cl |
![4-(4-Chloro-2,5-dimethoxy-phenyl)-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione](/api/spectrum/BO85mNonZHh/structure.png?h=300&w=458 "4-(4-Chloro-2,5-dimethoxy-phenyl)-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione")
